Abstract
In the title complex, [Zn(C8H5O3) 2(C6H6N2O)2(H 2O)2], the ZnII cation is located on an inversion center and is coordinated by two 4-formyl-benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the ZnII cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 24.13 (8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 88.52 (4)°. The coordinating water mol-ecule links with the carboxyl-ate group via an O-H⋯O hydrogen bond. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds, and a weak C-H⋯π inter-action link the mol-ecules into a two-dimensional network parallel to (010). These networks are linked via C-H⋯O and π-π inter-actions between inversion-related benzene rings [centroid-centroid distance = 3.8483 (7) Å], forming a three-dimensional supra-molecular structure.
| Original language | English |
|---|---|
| Pages (from-to) | m1127-m1128 |
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 68 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - Aug 2012 |
Keywords
- R factor = 0.022
- T = 100 K
- data-to-parameter ratio = 16.1
- mean σ(C-C) = 0.002 Å
- single-crystal X-ray study
- wR factor = 0.060
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